5-bromanyl-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 5-bromanyl-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-thiophene-2-carboxylic acid Openeye Name: 5-bromo-4-[(3,5-dimethyl-1-piperidyl)sulfonyl]thiophene-2-carboxylic acid CAS Name: 5-bromo-4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 5-bromo-4-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid Traditional Name: 5-bromo-4-(3,5-dimethylpiperidino)sulfonyl-2-thenoic acid Formula: C12H16BrNO4S2 MolecularWeight: 382.29374

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)Br)C

InChI

InChI=1S/C12H16BrNO4S2/c1-7-3-8(2)6-14(5-7)20(17,18)10-4-9(12(15)16)19-11(10)13/h4,7-8H,3,5-6H2,1-2H3,(H,15,16)